N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide

C23H19ClFN5O4S — CID 89216371

IUPACN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19ClFN5O4S/c24-22-18(28-35(32,33)20-4-2-1-3-17(20)25)11-16(12-27-22)15-5-6-21-26-13-19(30(21)14-15)23(31)29-7-9-34-10-8-29/h1-6,11-14,28H,7-10H2
InChIKeyBUVRUPZGOSXRSC-UHFFFAOYSA-N
MW515.95 g/mol
LogP3.46
Rot. Bonds5

About N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide

N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide (PubChem CID 89216371) has the molecular formula C23H19ClFN5O4S and a molecular weight of 515.95 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide
PubChem CID89216371
Molecular FormulaC23H19ClFN5O4S
Molecular Weight515.95 g/mol
Exact Mass515.08
IUPAC NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19ClFN5O4S/c24-22-18(28-35(32,33)20-4-2-1-3-17(20)25)11-16(12-27-22)15-5-6-21-26-13-19(30(21)14-15)23(31)29-7-9-34-10-8-29/h1-6,11-14,28H,7-10H2
InChIKeyBUVRUPZGOSXRSC-UHFFFAOYSA-N
XLogP3.46
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

HS-173
CID 52936849
N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 155565150
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 44125377
N-(5-(3-Acetylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936847
N-(5-(3-Morpholinoimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936959
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90299611
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90299614
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 90656293
N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46898104
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 5037672
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 86294818
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656299

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide (CID 89216371) is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide is O=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4F)c3)cn12)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide?
The InChIKey is BUVRUPZGOSXRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O4S/c24-22-18(28-35(32,33)20-4-2-1-3-17(20)25)11-16(12-27-22)15-5-6-21-26-13-19(30(21)14-15)23(31)29-7-9-34-10-8-29/h1-6,11-14,28H,7-10H2.
What are the key properties of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide has a molecular weight of 515.95 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 89216371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).